Geometry & MOs

Info

ID:

329586

PubChem CID:

126738640

Reduced:

NH18C23 (2)

Stoich.:

AB18C23 (2)

Weight, g/mol:

607.246455

ΔHf, kcal/mol:

158.51

Dipole, Da:

1.69

IP(EA), eV:

 -7.79(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(E)-7-formamido-5-(propanoylamino)hept-1-enyl] N'-[2-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetyl]carbamimidothioate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)N(C2=CC3=C(C=C2)C4=CC=CC=C4C5=CC=CC=C53)C6=CC7=C(C=C6)C8=CC=CC=C8N7C9=CC=CC=C9

DOS

IR

Vibrations